2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile

C19H15ClN4O — CID 169256494

IUPAC2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile
SMILESC=C(CC)c1nc(C)c(-c2cc(=O)c3c(C#N)nccc3[nH]2)cc1Cl
InChIInChI=1S/C19H15ClN4O/c1-4-10(2)19-13(20)7-12(11(3)23-19)15-8-17(25)18-14(24-15)5-6-22-16(18)9-21/h5-8H,2,4H2,1,3H3,(H,24,25)
InChIKeyRHPQSFPSUZNIOU-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.24
Rot. Bonds3

About 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile

2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile (PubChem CID 169256494) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile.

Molecular Properties

Compound Name2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile
PubChem CID169256494
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile
SMILESC=C(CC)c1nc(C)c(-c2cc(=O)c3c(C#N)nccc3[nH]2)cc1Cl
InChIInChI=1S/C19H15ClN4O/c1-4-10(2)19-13(20)7-12(11(3)23-19)15-8-17(25)18-14(24-15)5-6-22-16(18)9-21/h5-8H,2,4H2,1,3H3,(H,24,25)
InChIKeyRHPQSFPSUZNIOU-UHFFFAOYSA-N
XLogP4.24
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile?
The IUPAC name of 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile (CID 169256494) is 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile.
What is the SMILES notation for 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile?
The canonical SMILES for 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile is C=C(CC)c1nc(C)c(-c2cc(=O)c3c(C#N)nccc3[nH]2)cc1Cl.
What is the InChIKey of 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile?
The InChIKey is RHPQSFPSUZNIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-4-10(2)19-13(20)7-12(11(3)23-19)15-8-17(25)18-14(24-15)5-6-22-16(18)9-21/h5-8H,2,4H2,1,3H3,(H,24,25).
What are the key properties of 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile?
2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile has a molecular weight of 350.81 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile is sourced from PubChem (CID 169256494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).